input word = C00014496

Metabolite InformationStructural formula
Name Isoliquiritigenin 4-O-(5'''-O-p-coumaroyl)-apiofuranosyl-(1'''->2''')-glucoside
4,2',4'-Trihydroxychalcone 4-O-(5'''-O-p-coumaroyl)-apiofuranosyl-(1'''->2''')-glucoside
Formula C35H36O15
Mw 696.20542048
CAS RN 202657-29-2
C_ID C00014496 ,
InChIKey DBMYJNREMDOYPY-GEJAJBDWNA-N
InChICode InChI=1S/C35H36O15/c36-16-27-29(42)30(43)31(50-34-32(44)35(45,18-47-34)17-46-28(41)14-6-19-1-7-21(37)8-2-19)33(49-27)48-23-10-3-20(4-11-23)5-13-25(39)24-12-9-22(38)15-26(24)40/h1-15,27,29-34,36-38,40,42-45H,16-18H2/b13-5+,14-6+/t27-,29+,30-,31+,32+,33+,34-,35+/m0/s1
SMILES c1(cc(c(cc1)C(=O)/C=C\c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@@](O)(COC(=O)/C=C/c2ccc(cc2)O)CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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